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LOPAC-ZINC03874895

 MMsINC code: MMs02126050
Type: Neutral
Formula: C16H24FNO
SMILES:   Fc1c2c(CC(N(CCC)CCC)CC2)c(O)cc1
InChI:   InChI=1/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.6362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.372 g/mol  logS: -2.69443  SlogP: 3.51054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229448  Sterimol/B1: 2.35498  Sterimol/B2: 4.0234  Sterimol/B3: 4.74752
  Sterimol/B4: 8.7096  Sterimol/L: 13.6893 
 
 Surface and Volume Properties
  Accessible surface: 512.864  Positive charged surface: 358.495  Negative charged surface: 154.369  Volume: 275.875
  Hydrophobic surface: 424.296  Hydrophilic surface: 88.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02126051
LOPAC-ZINC03874895